Frédéric A. Perras
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View article: Understanding the Role of Borohydride Doping in Electrochemical Stability of Argyrodite Li <sub>6</sub> PS <sub>5</sub> Cl Solid‐State Electrolyte
Understanding the Role of Borohydride Doping in Electrochemical Stability of Argyrodite Li <sub>6</sub> PS <sub>5</sub> Cl Solid‐State Electrolyte Open
This work elucidates the mechanism by which lithium borohydride (LiBH 4 ) doping into argyrodite‐type Li 6 PS 5 Cl (LBH‐LPSCl) solid‐state electrolyte (SSE) enhances electrochemical stability. State‐of‐the‐art electrochemical performance i…
View article: Surface Protected Organozirconium Catalyzes C─H Alumination of Saturated Hydrocarbons
Surface Protected Organozirconium Catalyzes C─H Alumination of Saturated Hydrocarbons Open
Surface grafted organozirconium catalyzes C─H/Et─Al exchange reactions, involving saturated hydrocarbons and AlEt 3 , to afford organoaluminum compounds and ethane. The Zr(O t Bu) 3 @SiO 2 ‐Al 2 O 3–700 ( 1 ) catalyst contains monopodal ≡S…
View article: Surface Protected Organozirconium Catalyzes C─H Alumination of Saturated Hydrocarbons
Surface Protected Organozirconium Catalyzes C─H Alumination of Saturated Hydrocarbons Open
Surface grafted organozirconium catalyzes C─H/Et─Al exchange reactions, involving saturated hydrocarbons and AlEt 3 , to afford organoaluminum compounds and ethane. The Zr(O t Bu) 3 @SiO 2 ‐Al 2 O 3–700 ( 1 ) catalyst contains monopodal ≡S…
View article: A Broad-Spectrum Catalyst for Aliphatic Polymer Breakdown
A Broad-Spectrum Catalyst for Aliphatic Polymer Breakdown Open
Thermolysis of the well-defined aluminum fluoroalkoxide supported on silica (≡SiOAl(OC(CF3)3)2(O(Si≡)2), 1, 0.20 mmolAl g-1) at 200 °C forms a fluorinated amorphous silica-alumina (F-ASA) containing a distribution of Al(IV), Al(V), and Al(…
View article: Perspectives on the Dynamic Nuclear Polarization Mechanisms of Monoradicals: Overhauser Effect or Thermal Mixing?
Perspectives on the Dynamic Nuclear Polarization Mechanisms of Monoradicals: Overhauser Effect or Thermal Mixing? Open
This mini-review summarizes the evolving debate regarding the origins of the absorptive features seen in the dynamic nuclear polarization (DNP) spectra of certain monoradicals when they are irradiated at their electron Larmor frequency. Th…
View article: Preferred Orientation of a Physisorbed Molecular Catalyst and Implications for Selectivity
Preferred Orientation of a Physisorbed Molecular Catalyst and Implications for Selectivity Open
Confinement effects in stereoselective catalysis have been the topic of prolonged inquiry. Results have been largely mixed, with confinement having been reported to both enhance and degrade selectivity. Our ability to understand the surfac…
View article: Removal of Homogeneous Broadening from <sup>1</sup>H-Detected Multidimensional Solid-State NMR Spectra
Removal of Homogeneous Broadening from <sup>1</sup>H-Detected Multidimensional Solid-State NMR Spectra Open
1H-detected magic-angle spinning (MAS) NMR experiments have revolutionized the NMR studies of biological and inorganic solids by providing unparalleled sensitivity and resolution. Despite these gains, homogeneous broadening, originating fr…
View article: Well-defined Pt(0) heterogeneous hydrosilylation catalysts supported by a surface bound phosphenium ligand
Well-defined Pt(0) heterogeneous hydrosilylation catalysts supported by a surface bound phosphenium ligand Open
Functionalization of silica with phosphenium ligands allows for the first reported support of well-defined Pt(0) sites for heterogeneous alkyne hydrosilylation.
View article: Hahn-Echo Assisted Deconvolution (HEAD)
Hahn-Echo Assisted Deconvolution (HEAD) Open
This repository contains the Bruker pulse program for acquire 2D HEAD data in addition to the C++ program used for data processing. Data must be acquired with identical digital resolution in both dimensions. The resulting 2D spectrum is co…
View article: Come for predictions, stay for complexity: synthesis and experimental probing of ionic conductivity in Li <sub>9</sub> B <sub>19</sub> S <sub>33</sub>
Come for predictions, stay for complexity: synthesis and experimental probing of ionic conductivity in Li <sub>9</sub> B <sub>19</sub> S <sub>33</sub> Open
Predicted superior Li-ion ionic conductor Li 9 B 19 S 33 was experimentally synthesized and characterized.
View article: Boron monoxide is a one-dimensional polymer
Boron monoxide is a one-dimensional polymer Open
17 O and 17 O/ 11 B solid-state NMR experiments reveal the long-range molecular structure of boron monoxide. The material is found to form one-dimensional polymers made from interconnected B 4 O 2 ring units.
View article: Hydrogen Isotope Labeling of Pharmaceuticals Via Dual Hydrogen Isotope Exchange Pathways Using CdS Quantum Dot Photocatalyst
Hydrogen Isotope Labeling of Pharmaceuticals Via Dual Hydrogen Isotope Exchange Pathways Using CdS Quantum Dot Photocatalyst Open
Isotopic labeling is a powerful technique extensively used in the pharmaceutical industry. By tracking isotope-labeled molecules, researchers gain unique and invaluable insights into the pharmacokinetics and pharmacodynamics of new drug ca…
View article: Hydrogen Isotope Labeling of Pharmaceuticals via Dual Hydrogen Isotope Exchange Pathways
Hydrogen Isotope Labeling of Pharmaceuticals via Dual Hydrogen Isotope Exchange Pathways Open
Isotopic labeling is a powerful technique extensively used in the pharmaceutical industry. By tracking isotope-labeled molecules, researchers gain unique and invaluable insights 20 into the pharmacokinetics and pharmacodynamics of new drug…
View article: Observing the Surface Termination of LaScO<sub>3</sub> Perovskite Using Solid-State Nuclear Magnetic Resonance
Observing the Surface Termination of LaScO<sub>3</sub> Perovskite Using Solid-State Nuclear Magnetic Resonance Open
Materials with well-defined surfaces are drawing increased attention for the design of bespoke catalysts and nanomaterials. Gaining a detailed understanding of the surfaces of these materials is an important challenge, which is often compl…
View article: Enhanced Activity from Coordinatively Unsaturated and Dynamic Zeolite-Bound Organoscandium Species
Enhanced Activity from Coordinatively Unsaturated and Dynamic Zeolite-Bound Organoscandium Species Open
Scandium borohydride grafted into the micropores of the faujasite zeolite HY30 catalyzes the C–H borylation of benzene, whereas silica-grafted species are inactive. This catalytic activity may originate from grafting at a Brønsted acid sit…
View article: Silicon Nitride Surface Enabled Propane Dehydrogenation Catalyzed by Supported Organozirconium
Silicon Nitride Surface Enabled Propane Dehydrogenation Catalyzed by Supported Organozirconium Open
Mesoporous silicon nitride (Si3N4) is a nontraditional support for the chemisorption of organometallic complexes with the potential for enhancing catalytic activity through features such as the increased Lewis basicity of nitrogen for hete…
View article: Mechanical Milling – Induced Microstructure Changes in Argyrodite LPSCl Solid‐State Electrolyte Critically Affect Electrochemical Stability
Mechanical Milling – Induced Microstructure Changes in Argyrodite LPSCl Solid‐State Electrolyte Critically Affect Electrochemical Stability Open
Microstructure of argyrodite solid‐state electrolyte (SSE) critically affects lithium metal electrodeposition/dissolution. While the stability of unmodified SSE is mediocre, once optimized state‐of‐the‐art electrochemical performance is ac…
View article: Probing Interactions between Adsorbed Polymers and γ-Al<sub>2</sub>O<sub>3</sub> Using Solid-State NMR
Probing Interactions between Adsorbed Polymers and γ-Al<sub>2</sub>O<sub>3</sub> Using Solid-State NMR Open
The interactions between polymers and metal oxide surfaces affect the physical properties of polymer composites and the selectivity of catalysts used for plastic conversion. Gauging the strengths of these interactions and how they depend o…
View article: Size matters: altering the metal-surface coordination in micropores <i>via</i> structural confinement effects
Size matters: altering the metal-surface coordination in micropores <i>via</i> structural confinement effects Open
NMR experiments reveal how surface curvature can impact metal coordination. It was observed that under extreme confinement, secondary support–metal interactions are prevented, leading to a dynamic complex with an open coordination site.
View article: Automatic Multiple Experiment Simulation and Fitting (Ames-Fit)
Automatic Multiple Experiment Simulation and Fitting (Ames-Fit) Open
AMES-Fit is a program used to automatically fit the multi-field solid-state NMR spectra of half-integer quadrupolar nuclei. Due to the high dimensional space, gradient algorithms have failed to address the fitting of such data, which is at…
View article: Selective <sup>17</sup>O-labeling of silica
Selective <sup>17</sup>O-labeling of silica Open
Silanol groups on the surface of silica are labile and spontaneously exchange their oxygen atoms with water. This enables the synthesis of silica materials that are selectively labeled in 17 O at either the silanol or siloxane positions.
View article: Elimination of homogeneous broadening in <sup>1</sup>H solid-state NMR
Elimination of homogeneous broadening in <sup>1</sup>H solid-state NMR Open
1 H homogeneous NMR linewidths can be measured using a Hahn echo experiment and used to enhance the resolution of the spectra via deconvolution. Resolution is approximately doubled, equating to an effective twofold increase in spinning fre…
View article: Erratum: “Mechanistic origins of methyl-driven Overhauser DNP” [J. Chem. Phys. 158, 154201 (2023)]
Erratum: “Mechanistic origins of methyl-driven Overhauser DNP” [J. Chem. Phys. 158, 154201 (2023)] Open
We recently published an article describing the origins of an observed Overhauser effect in a methyl-functionalized Blatter-type radical. 1 In the theory section of the article, we mistakenly omitted the scalar contributions 2,3 to Eqs. ( …
View article: CCDC 2234332: Experimental Crystal Structure Determination
CCDC 2234332: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2234333: Experimental Crystal Structure Determination
CCDC 2234333: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CSD 2240544: Experimental Crystal Structure Determination
CSD 2240544: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…